Information card for entry 7016302

Structure parameters

• Common name: LNI2 (MeOH)4(MeCN)2
• Formula: C68 H68 N6 Ni2 O8
• Calculated formula: C68 H68 N6 Ni2 O8
• Title of publication: Highly cooperative double metalation of a bis(N(2)O(2)) ligand based on bipyridine-phenol framework driven by intramolecular π-stacking of square planar nickel(ii) complex moieties.
• Authors of publication: Akine, Shigehisa; Shimada, Toshihiko; Nagumo, Hiroki; Nabeshima, Tatsuya
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 34
• Pages of publication: 8507 - 8509
• a: 15.6037 ± 0.0004 Å
• b: 27.0324 ± 0.0005 Å
• c: 27.9392 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11784.9 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No